(4S)-4-N-(2-fluoroethyl)-1-N,1-N-dimethylcyclohexene-1,4-diamine

C10H19FN2 — CID 167068198

IUPAC(4S)-4-N-(2-fluoroethyl)-1-N,1-N-dimethylcyclohexene-1,4-diamine
SMILESCN(C)C1=CC[C@@H](NCCF)CC1
InChIInChI=1S/C10H19FN2/c1-13(2)10-5-3-9(4-6-10)12-8-7-11/h5,9,12H,3-4,6-8H2,1-2H3/t9-/m1/s1
InChIKeyBZCSXMHCJICBSR-SECBINFHSA-N
MW186.27 g/mol
LogP1.54
Rot. Bonds4

About (4S)-4-N-(2-fluoroethyl)-1-N,1-N-dimethylcyclohexene-1,4-diamine

(4S)-4-N-(2-fluoroethyl)-1-N,1-N-dimethylcyclohexene-1,4-diamine (PubChem CID 167068198) has the molecular formula C10H19FN2 and a molecular weight of 186.27 g/mol. Its IUPAC name is (4S)-4-N-(2-fluoroethyl)-1-N,1-N-dimethylcyclohexene-1,4-diamine.

Molecular Properties

Compound Name(4S)-4-N-(2-fluoroethyl)-1-N,1-N-dimethylcyclohexene-1,4-diamine
PubChem CID167068198
Molecular FormulaC10H19FN2
Molecular Weight186.27 g/mol
Exact Mass186.15
IUPAC Name(4S)-4-N-(2-fluoroethyl)-1-N,1-N-dimethylcyclohexene-1,4-diamine
SMILESCN(C)C1=CC[C@@H](NCCF)CC1
InChIInChI=1S/C10H19FN2/c1-13(2)10-5-3-9(4-6-10)12-8-7-11/h5,9,12H,3-4,6-8H2,1-2H3/t9-/m1/s1
InChIKeyBZCSXMHCJICBSR-SECBINFHSA-N
XLogP1.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-N-(2-fluoroethyl)-1-N,1-N-dimethylcyclohexene-1,4-diamine?
The IUPAC name of (4S)-4-N-(2-fluoroethyl)-1-N,1-N-dimethylcyclohexene-1,4-diamine (CID 167068198) is (4S)-4-N-(2-fluoroethyl)-1-N,1-N-dimethylcyclohexene-1,4-diamine.
What is the SMILES notation for (4S)-4-N-(2-fluoroethyl)-1-N,1-N-dimethylcyclohexene-1,4-diamine?
The canonical SMILES for (4S)-4-N-(2-fluoroethyl)-1-N,1-N-dimethylcyclohexene-1,4-diamine is CN(C)C1=CC[C@@H](NCCF)CC1.
What is the InChIKey of (4S)-4-N-(2-fluoroethyl)-1-N,1-N-dimethylcyclohexene-1,4-diamine?
The InChIKey is BZCSXMHCJICBSR-SECBINFHSA-N. The full InChI is InChI=1S/C10H19FN2/c1-13(2)10-5-3-9(4-6-10)12-8-7-11/h5,9,12H,3-4,6-8H2,1-2H3/t9-/m1/s1.
What are the key properties of (4S)-4-N-(2-fluoroethyl)-1-N,1-N-dimethylcyclohexene-1,4-diamine?
(4S)-4-N-(2-fluoroethyl)-1-N,1-N-dimethylcyclohexene-1,4-diamine has a molecular weight of 186.27 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-N-(2-fluoroethyl)-1-N,1-N-dimethylcyclohexene-1,4-diamine is sourced from PubChem (CID 167068198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).